SCHEMBL17499258

SCHEMBL17499258

Cc1cncc(C(=Nc2ccccc2O[Si](C)(C)C)c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16096024 0.87 ALDH1A1 (0.38) GRM5ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL16098051 0.86 HTT (0.33) GRM5ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL17499257 0.85 GRM5 (0.38) GRM5ALDH1A1LMNASMN1; SMN2
SCHEMBL17499299 0.84 GRM5 (0.33) GRM5ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL17499301 0.82 TDP1 (0.37) ALDH1A1HTTLMNASMN1; SMN2ESR1
SCHEMBL16098223 0.81 TBXA2R (0.46) HTTLMNASMN1; SMN2KDM4E
SCHEMBL16097616 0.80 ALDH1A1 (0.34) ALDH1A1HTTLMNASMN1; SMN2ESR1
SCHEMBL16097113 0.79 TBXA2R (0.40) ALDH1A1HTTESR1ESR2GAA
SCHEMBL16097932 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ESR1ESR2GAA
SCHEMBL17499543 0.78 TDP1 (0.31) ESR1ESR2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed